1-(2,3-dihydroindol-1-yl)-2-[4-[[5-(fluoromethyl)-1,2-oxazol-3-yl]methyl]piperazin-1-yl]ethanone

C19H23FN4O2 — CID 167991358

IUPAC1-(2,3-dihydroindol-1-yl)-2-[4-[[5-(fluoromethyl)-1,2-oxazol-3-yl]methyl]piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(Cc2cc(CF)on2)CC1)N1CCc2ccccc21
InChIInChI=1S/C19H23FN4O2/c20-12-17-11-16(21-26-17)13-22-7-9-23(10-8-22)14-19(25)24-6-5-15-3-1-2-4-18(15)24/h1-4,11H,5-10,12-14H2
InChIKeyQPVZWOKIFKKXPM-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.85
Rot. Bonds5

About 1-(2,3-dihydroindol-1-yl)-2-[4-[[5-(fluoromethyl)-1,2-oxazol-3-yl]methyl]piperazin-1-yl]ethanone

1-(2,3-dihydroindol-1-yl)-2-[4-[[5-(fluoromethyl)-1,2-oxazol-3-yl]methyl]piperazin-1-yl]ethanone (PubChem CID 167991358) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[4-[[5-(fluoromethyl)-1,2-oxazol-3-yl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[4-[[5-(fluoromethyl)-1,2-oxazol-3-yl]methyl]piperazin-1-yl]ethanone
PubChem CID167991358
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[4-[[5-(fluoromethyl)-1,2-oxazol-3-yl]methyl]piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(Cc2cc(CF)on2)CC1)N1CCc2ccccc21
InChIInChI=1S/C19H23FN4O2/c20-12-17-11-16(21-26-17)13-22-7-9-23(10-8-22)14-19(25)24-6-5-15-3-1-2-4-18(15)24/h1-4,11H,5-10,12-14H2
InChIKeyQPVZWOKIFKKXPM-UHFFFAOYSA-N
XLogP1.85
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 8719141
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CID 135113637
1-(2,3-dihydroindol-1-yl)-2-(3-hydroxyazetidin-1-yl)ethanone
CID 63282171
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 30962950
2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]propanoic acid
CID 119134857
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CID 75361771
1-(2,3-dihydroindol-1-yl)-2-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone;hydrochloride
CID 120847846
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 858988
1-(2,3-dihydroindol-1-yl)-2-(2,6-dimethylmorpholin-4-yl)ethanone
CID 78790849
6-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]pyridine-2-carboxylic acid
CID 122053084
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-ethylpiperazin-1-yl)ethanone
CID 78789991

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[4-[[5-(fluoromethyl)-1,2-oxazol-3-yl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[4-[[5-(fluoromethyl)-1,2-oxazol-3-yl]methyl]piperazin-1-yl]ethanone (CID 167991358) is 1-(2,3-dihydroindol-1-yl)-2-[4-[[5-(fluoromethyl)-1,2-oxazol-3-yl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[4-[[5-(fluoromethyl)-1,2-oxazol-3-yl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[4-[[5-(fluoromethyl)-1,2-oxazol-3-yl]methyl]piperazin-1-yl]ethanone is O=C(CN1CCN(Cc2cc(CF)on2)CC1)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[4-[[5-(fluoromethyl)-1,2-oxazol-3-yl]methyl]piperazin-1-yl]ethanone?
The InChIKey is QPVZWOKIFKKXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c20-12-17-11-16(21-26-17)13-22-7-9-23(10-8-22)14-19(25)24-6-5-15-3-1-2-4-18(15)24/h1-4,11H,5-10,12-14H2.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[4-[[5-(fluoromethyl)-1,2-oxazol-3-yl]methyl]piperazin-1-yl]ethanone?
1-(2,3-dihydroindol-1-yl)-2-[4-[[5-(fluoromethyl)-1,2-oxazol-3-yl]methyl]piperazin-1-yl]ethanone has a molecular weight of 358.42 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-[4-[[5-(fluoromethyl)-1,2-oxazol-3-yl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 167991358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).